methyl 4-acetyloxy-3-cyano-azulene-1-carboxylate

Systemtic Name: methyl 4-acetyloxy-3-cyano-azulene-1-carboxylate Openeye Name: methyl 4-acetoxy-3-cyano-azulene-1-carboxylate CAS Name: 4-acetyloxy-3-cyano-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 4-acetyloxy-3-cyanoazulene-1-carboxylate Traditional Name: 4-acetoxy-3-cyano-azulene-1-carboxylic acid methyl ester Formula: C15H11NO4 MolecularWeight: 269.25214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C2C1=C(C=C2C(=O)OC)C#N

Isomeric SMILES

CC(=O)OC1=CC=CC=C2C1=C(C=C2C(=O)OC)C#N

InChI

InChI=1S/C15H11NO4/c1-9(17)20-13-6-4-3-5-11-12(15(18)19-2)7-10(8-16)14(11)13/h3-7H,1-2H3